CID 156745698

C8H17OSi — CID 156745698

IUPAC—
SMILESC=CCCCC(O)[Si](C)C
InChIInChI=1S/C8H17OSi/c1-4-5-6-7-8(9)10(2)3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyXFWYSPJOLRAPDB-UHFFFAOYSA-N
MW157.31 g/mol
LogP2.00
Rot. Bonds5

About CID 156745698

CID 156745698 (PubChem CID 156745698) has the molecular formula C8H17OSi and a molecular weight of 157.31 g/mol.

Molecular Properties

Compound NameCID 156745698
PubChem CID156745698
Molecular FormulaC8H17OSi
Molecular Weight157.31 g/mol
Exact Mass157.10
IUPAC Name—
SMILESC=CCCCC(O)[Si](C)C
InChIInChI=1S/C8H17OSi/c1-4-5-6-7-8(9)10(2)3/h4,8-9H,1,5-7H2,2-3H3
InChIKeyXFWYSPJOLRAPDB-UHFFFAOYSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10866828
1-propoxyoct-7-en-3-ol
CID 105102038
2-ethoxyoct-7-en-3-ol
CID 64541753
(2R)-2-hydroxyhept-6-enenitrile
CID 10654227
(2R)-2-hydroxyhept-6-enoic acid
CID 55302354
6-bromohept-1-ene
CID 12722403
1-propan-2-yloxyhept-6-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of CID 156745698?
The IUPAC name of CID 156745698 (CID 156745698) is not available.
What is the SMILES notation for CID 156745698?
The canonical SMILES for CID 156745698 is C=CCCCC(O)[Si](C)C.
What is the InChIKey of CID 156745698?
The InChIKey is XFWYSPJOLRAPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OSi/c1-4-5-6-7-8(9)10(2)3/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of CID 156745698?
CID 156745698 has a molecular weight of 157.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156745698 is sourced from PubChem (CID 156745698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).